[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-methylbenzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-methyl-benzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C20H27N3O5S/c1-5-23(6-2)29(26,27)16-10-7-14(3)17(11-16)19(25)28-12-18(24)22-20(4,13-21)15-8-9-15/h7,10-11,15H,5-6,8-9,12H2,1-4H3,(H,22,24)/t20-/m1/s1